compound 15 [PMID: 33738061]
SMILES | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O |
InChIKey | KVRMGFKQCUEJMS-HZCBDIJESA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 437.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |